3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone

C22H23NO2 — CID 143575407

IUPAC3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)cc1.CCc1ccc(O)cc1N
InChIInChI=1S/C14H12O.C8H11NO/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;1-2-6-3-4-7(10)5-8(6)9/h2-10H,1H3;3-5,10H,2,9H2,1H3
InChIKeyDLYKGFCHDPYMTP-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.09
Rot. Bonds3

About 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone

3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone (PubChem CID 143575407) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone
PubChem CID143575407
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)cc1.CCc1ccc(O)cc1N
InChIInChI=1S/C14H12O.C8H11NO/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;1-2-6-3-4-7(10)5-8(6)9/h2-10H,1H3;3-5,10H,2,9H2,1H3
InChIKeyDLYKGFCHDPYMTP-UHFFFAOYSA-N
XLogP5.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-ethylphenol;hydrochloride
CID 178200309
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
2-(4-acetyl-2-aminophenyl)acetic acid
CID 23106782
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
3-amino-4-ethylbenzamide
CID 19977641
5-phenyl-2-propylaniline
CID 165495824

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone?
The IUPAC name of 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone (CID 143575407) is 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone?
The canonical SMILES for 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone is CC(=O)c1ccc(-c2ccccc2)cc1.CCc1ccc(O)cc1N.
What is the InChIKey of 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone?
The InChIKey is DLYKGFCHDPYMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C8H11NO/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;1-2-6-3-4-7(10)5-8(6)9/h2-10H,1H3;3-5,10H,2,9H2,1H3.
What are the key properties of 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone?
3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone has a molecular weight of 333.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 143575407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).